1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone

C14H14OS — CID 107003986

IUPAC1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)c1cccc2ccsc12
InChIInChI=1S/C14H14OS/c1-14(2)8-11(14)12(15)10-5-3-4-9-6-7-16-13(9)10/h3-7,11H,8H2,1-2H3
InChIKeyJERNHIRZYNLPNJ-UHFFFAOYSA-N
MW230.33 g/mol
LogP4.13
Rot. Bonds2

About 1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone

1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone (PubChem CID 107003986) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone
PubChem CID107003986
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)c1cccc2ccsc12
InChIInChI=1S/C14H14OS/c1-14(2)8-11(14)12(15)10-5-3-4-9-6-7-16-13(9)10/h3-7,11H,8H2,1-2H3
InChIKeyJERNHIRZYNLPNJ-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of 1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone (CID 107003986) is 1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone is CC1(C)CC1C(=O)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is JERNHIRZYNLPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-14(2)8-11(14)12(15)10-5-3-4-9-6-7-16-13(9)10/h3-7,11H,8H2,1-2H3.
What are the key properties of 1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone?
1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone has a molecular weight of 230.33 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 107003986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).